8006-9725 Screening compound: (2E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylprop-2-enamide

8006-9725 Screening compound: (2E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylprop-2-enamide
8006-9725 Screening compound: (2E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9725
(2E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylprop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8006-9725

Molecular Formula

C19H21NO2 (C19 H21 NO2)

Compound Name

(2E)-N-[2-(3,4-dimethylphenoxy)ethyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[2-(34-dimethylphenoxy)ethyl]-3-phenylprop-2-enamide

SMILES

Cc(cc1)c(C)cc1OCCNC(/C=C/c1ccccc1)=O

InChI

InChI=1S/C19H21NO2/c1-15-8-10-18(14-16(15)2)22-13-12-20-19(21)11-9-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,20,21)

InChI Key

VVGVYORKJMAOLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00716727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.069

Water Solubility, LogSw

-4.72

Polar Surface Area

31.698

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8006-9725 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Nuclear receptors
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8006-9725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9725?
Check Price and Availability of 8006-9725, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-9725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9725
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8006-9725 available by request